1-[3-(furan-2-yl)benzoyl]-5-methoxy-N-(4-methylphenyl)piperidine-3-carboxamide

C25H26N2O4 — CID 121354959

IUPAC1-[3-(furan-2-yl)benzoyl]-5-methoxy-N-(4-methylphenyl)piperidine-3-carboxamide
SMILESCOC1CC(C(=O)Nc2ccc(C)cc2)CN(C(=O)c2cccc(-c3ccco3)c2)C1
InChIInChI=1S/C25H26N2O4/c1-17-8-10-21(11-9-17)26-24(28)20-14-22(30-2)16-27(15-20)25(29)19-6-3-5-18(13-19)23-7-4-12-31-23/h3-13,20,22H,14-16H2,1-2H3,(H,26,28)
InChIKeyZTDOPQODLJVNTG-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.37
Rot. Bonds5

About 1-[3-(furan-2-yl)benzoyl]-5-methoxy-N-(4-methylphenyl)piperidine-3-carboxamide

1-[3-(furan-2-yl)benzoyl]-5-methoxy-N-(4-methylphenyl)piperidine-3-carboxamide (PubChem CID 121354959) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)benzoyl]-5-methoxy-N-(4-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(furan-2-yl)benzoyl]-5-methoxy-N-(4-methylphenyl)piperidine-3-carboxamide
PubChem CID121354959
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name1-[3-(furan-2-yl)benzoyl]-5-methoxy-N-(4-methylphenyl)piperidine-3-carboxamide
SMILESCOC1CC(C(=O)Nc2ccc(C)cc2)CN(C(=O)c2cccc(-c3ccco3)c2)C1
InChIInChI=1S/C25H26N2O4/c1-17-8-10-21(11-9-17)26-24(28)20-14-22(30-2)16-27(15-20)25(29)19-6-3-5-18(13-19)23-7-4-12-31-23/h3-13,20,22H,14-16H2,1-2H3,(H,26,28)
InChIKeyZTDOPQODLJVNTG-UHFFFAOYSA-N
XLogP4.37
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzylamino)-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 121354972
3-fluoro-1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 121354946
N-(4-chlorophenyl)-4-[3-(furan-2-yl)benzoyl]-1-(4-methoxybenzoyl)piperazine-2-carboxamide
CID 121317941
N-[4-(furan-2-yl)phenyl]-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine-3-carboxamide
CID 45172863
propyl 2-[(4-chlorophenyl)carbamoyl]-4-[3-(furan-2-yl)benzoyl]piperazine-1-carboxylate
CID 121318066
[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 168524923
(3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide
CID 42348707
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 47027078
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
methyl N-[4-(furan-2-yl)phenyl]carbamate
CID 168528272
[(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone
CID 126440210

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)benzoyl]-5-methoxy-N-(4-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[3-(furan-2-yl)benzoyl]-5-methoxy-N-(4-methylphenyl)piperidine-3-carboxamide (CID 121354959) is 1-[3-(furan-2-yl)benzoyl]-5-methoxy-N-(4-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(furan-2-yl)benzoyl]-5-methoxy-N-(4-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[3-(furan-2-yl)benzoyl]-5-methoxy-N-(4-methylphenyl)piperidine-3-carboxamide is COC1CC(C(=O)Nc2ccc(C)cc2)CN(C(=O)c2cccc(-c3ccco3)c2)C1.
What is the InChIKey of 1-[3-(furan-2-yl)benzoyl]-5-methoxy-N-(4-methylphenyl)piperidine-3-carboxamide?
The InChIKey is ZTDOPQODLJVNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-17-8-10-21(11-9-17)26-24(28)20-14-22(30-2)16-27(15-20)25(29)19-6-3-5-18(13-19)23-7-4-12-31-23/h3-13,20,22H,14-16H2,1-2H3,(H,26,28).
What are the key properties of 1-[3-(furan-2-yl)benzoyl]-5-methoxy-N-(4-methylphenyl)piperidine-3-carboxamide?
1-[3-(furan-2-yl)benzoyl]-5-methoxy-N-(4-methylphenyl)piperidine-3-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)benzoyl]-5-methoxy-N-(4-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 121354959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).